N6-(4-butylphenyl)-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butylphenyl)-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-5-nitro-N4-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-5-nitro-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-p-cumenyl-amine Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O2/c1-4-5-6-17-7-11-19(12-8-17)26-22-21(28(29)30)23(25-15-24-22)27-20-13-9-18(10-14-20)16(2)3/h7-16H,4-6H2,1-3H3,(H2,24,25,26,27)